1-Ethyl-3,5,7-trimethyl-1,3-dihydro-2H-azepin-2-one

HCID 282185

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Basic information

CAS: 879-22-1
Standard SMILES: CCN1C(=O)C(C)C=C(C)C=C1C
InChIKey: LLSOXXTUUXHDOC-UHFFFAOYSA-N
Molecular formula: C11H17NO
Average molar mass: 179.26 g/mol
Monoisotopic mass: 179.13101417

Names & identifiers

Preferred name: 1-Ethyl-3,5,7-trimethyl-1,3-dihydro-2H-azepin-2-one
IUPAC: 1-ethyl-3,5,7-trimethyl-3H-azepin-2-one
English name: 2H-Azepin-2-one,1-ethyl-1,3-dihydro-3,5,7-trimethyl-
Molecular formula: C11H17NO
Molecular weight: 179.25878

Names & synonyms

1-Ethyl-3,5,7-trimethyl-1,3-dihydro-2H-azepin-2-one879-22-1NSC135367NSC 135367MLS002920278NSC-1353671-ethyl-3,5,7-trimethyl-3H-azepin-2-one2TY6V9ZC9NCHEMBL2132330SCHEMBL30229764AKOS024321402SMR001797874

Show more names

2H-Azepin-2-one,1-ethyl-1,3-dihydro-3,5,7-trimethyl-

1-Ethyl-1,3-dihydro-3,5,7-trimethyl-2H-azepin-2-one2H-Azepin-2-one, 1-ethyl-1,3-dihydro-3,5,7-trimethyl-

Database identifiers

CAS: 879-22-1
PubChem CID: 282185
ChEMBL: CHEMBL2132330
UNII: 2TY6V9ZC9N

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 276

Chemistry & industry

Suppliers1 total

西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]

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